CID 15394713

Chebi:173933

Structural Information

Molecular Formula
C15H16N2O3
SMILES
C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C(CC(CO)O)O
InChI
InChI=1S/C15H16N2O3/c18-8-9(19)7-13(20)15-14-11(5-6-16-15)10-3-1-2-4-12(10)17-14/h1-6,9,13,17-20H,7-8H2
InChIKey
YPOORAFYDFLOBZ-UHFFFAOYSA-N
Compound name
4-(9H-pyrido[3,4-b]indol-1-yl)butane-1,2,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1161 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.123376 160.9
[M+Na]+ 295.105318 168.5
[M-H]- 271.108824 158.9
[M+NH4]+ 290.149923 175.6
[M+K]+ 311.079258 162.9
[M+H-H2O]+ 255.113360 154.1
[M+HCOO]- 317.114301 175.2
[M+CH3COO]- 331.129951 170.6
[M+Na-2H]- 293.090766 165.1
[M]+ 272.11555142 160.3
[M]- 272.11664858 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.